ML_AFILT2

ML_AFILT2 = [real]
Default: ML_AFILT2 = 0.002 

Description: This tag sets the filtering parameter for the angular filtering for ML_IAFILT2 in the machine learning force field method.

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This tag is only used if ML_LAFILT2=.TRUE. and ML_IAFILT2=2 are used.

The angular filtering function for ML_IAFILT2=2 is described as $\eta _{l,a_{\mathrm {FILT} }}={\frac {1}{1+a_{\mathrm {FILT} }[l(l+1)]^{2}}}$. The tag ML_AFILT2 sets the parameter $a_{\mathrm {FILT} }$.

Related tags and articles

ML_LMLFF, ML_LAFILT2, ML_IAFILT2

Examples that use this tag

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